Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory

Structural, vibrational, and quasiparticle properties of the Peierls semiconductorBaBiO3: A hybrid functional and self-consistentGW+vertex-correctionsstudy

(2010) C. Franchini et al.   PHYSICAL REVIEW B

Crystal and electronic band structure of Cu2ZnSnX4 (X=S and Se) photovoltaic absorbers: First-principles insights

(2009) Shiyou Chen et al.   APPLIED PHYSICS LETTERS

(Cu2S2)(Sr3Sc2O5)−A Layered, Direct Band Gap, p-Type Transparent Conducting Oxychalcogenide: A Theoretical Analysis.

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Understanding the p-Type Conduction Properties of the Transparent Conducting Oxide CuBO2: A Density Functional Theory Analysis

(2009) David O. Scanlon et al.   CHEMISTRY OF MATERIALS

Modeling the polaronic nature of p-type defects in Cu2O: The failure of GGA and GGA+U

(2009) David O. Scanlon et al.   JOURNAL OF CHEMICAL PHYSICS

Physical properties of silver oxide thin films by pulsed laser deposition: effect of oxygen pressure during growth

(2009) N Ravi Chandra Raju et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

A grid-based Bader analysis algorithm without lattice bias

(2009) W Tang et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Origin of electronic and optical trends in ternaryIn2O3(ZnO)ntransparent conducting oxides(n=1,3,5): Hybrid density functional theory calculations

(2009) Aron Walsh et al.   PHYSICAL REVIEW B

Hybrid density-functional calculation of the electronic and magnetic structures of tetragonal CuO

(2009) Xing-Qiu Chen et al.   PHYSICAL REVIEW B

Unraveling the Jahn-Teller effect in Mn-doped GaN using the Heyd-Scuseria-Ernzerhof hybrid functional

(2009) A. Stroppa et al.   PHYSICAL REVIEW B

Acceptor Levels inp-TypeCu2O: Rationalizing Theory and Experiment

(2009) David O. Scanlon et al.   PHYSICAL REVIEW LETTERS

Polaronic Hole Trapping in DopedBaBiO3

(2009) C. Franchini et al.   PHYSICAL REVIEW LETTERS

Anodic silver (II) oxides investigated by combined electrochemistry,ex situXPS andin situX-ray absorption spectroscopy

(2009) Dirk Lützenkirchen-Hecht et al.   SURFACE AND INTERFACE ANALYSIS

Nanostructured high valence silver oxide produced by pulsed laser deposition

(2008) D. Dellasega et al.   APPLIED SURFACE SCIENCE

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Nanostructured Ag4O4films with enhanced antibacterial activity

(2008) D Dellasega et al.   NANOTECHNOLOGY